2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide

C13H20N4OS — CID 63918441

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(C)NC(CSc1ncccn1)(C(N)=O)C1CC1
InChIInChI=1S/C13H20N4OS/c1-9(2)17-13(11(14)18,10-4-5-10)8-19-12-15-6-3-7-16-12/h3,6-7,9-10,17H,4-5,8H2,1-2H3,(H2,14,18)
InChIKeyHUDMFXIKCRHXTP-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.20
Rot. Bonds7

About 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide

2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 63918441) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide
PubChem CID63918441
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(C)NC(CSc1ncccn1)(C(N)=O)C1CC1
InChIInChI=1S/C13H20N4OS/c1-9(2)17-13(11(14)18,10-4-5-10)8-19-12-15-6-3-7-16-12/h3,6-7,9-10,17H,4-5,8H2,1-2H3,(H2,14,18)
InChIKeyHUDMFXIKCRHXTP-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915936
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
CID 63916309
2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 63915925
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915943
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 66103202
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79670744
2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 63918417
methyl 2-cyclopropyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propan-2-ylamino)propanoate
CID 63916873
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574
2-cyclopropyl-3-(4-ethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63919201

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide (CID 63918441) is 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide is CC(C)NC(CSc1ncccn1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is HUDMFXIKCRHXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9(2)17-13(11(14)18,10-4-5-10)8-19-12-15-6-3-7-16-12/h3,6-7,9-10,17H,4-5,8H2,1-2H3,(H2,14,18).
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide?
2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 280.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 63918441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).